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IOK
IOK
Name:N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Formula:C26 H26 N2 O2
SMILES:O=C(NC(C)CCc1ccc(O)cc1)Cc3c2ccccc2nc3c4ccccc4
InChi:InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1
Definition date:2007-04-05
Last modified:2011-06-04
Identifier:N-[(1R)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1H-indol-3-yl)acetamide
IOL
IOL
Name:4-IODOPHENOL
Formula:C6 H5 I O
SMILES:Ic1ccc(O)cc1
InChi:InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Definition date:2000-04-28
Last modified:2011-06-04
Identifier:4-iodophenol
IOM
IOM
Name:(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
Formula:C4 H11 N3 O2
SMILES:O=C(O)CN(C)C(N)N
InChi:InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)
Definition date:2002-10-17
Last modified:2011-06-04
Identifier:N-(diaminomethyl)-N-methylglycine
IOP
IOP
Name:INDOLYLPROPIONIC ACID
Formula:C11 H11 N O2
SMILES:O=C(O)CCc2c1ccccc1nc2
InChi:InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(1H-indol-3-yl)propanoic acid
IOS
IOS
Name:3-SULFOOXY-1H-INDOLE
Formula:C8 H7 N O4 S
SMILES:O=S(=O)(O)Oc2c1ccccc1nc2
InChi:InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
Definition date:2005-07-26
Last modified:2011-06-04
Identifier:1H-indol-3-yl hydrogen sulfate
IOT
IOT
Name:ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER
Formula:C18 H28 N9 O10 P
SMILES:O=C(O)C(NCC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCNC(=[N@H])N
InChi:InChI=1S/C18H28N9O10P/c19-14-11-15(25-6-24-14)27(7-26-11)16-13(30)12(29)9(36-16)5-35-38(33,34)37-10(28)4-23-8(17(31)32)2-1-3-22-18(20)21/h6-9,12-13,16,23,29-30H,1-5H2,(H,31,32)(H,33,34)(H2,19,24,25)(H4,20,21,22)/t8-,9+,12+,13+,16+/m0/s1
Definition date:2002-09-19
Last modified:2011-06-04
Identifier:(3R,8S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-8-(3-carbamimidamidopropyl)-3-hydroxy-5-oxo-2,4-dioxa-7-aza-3-phosphanonan-9-oic acid 3-oxide (non-preferred name)
ELP
ELP
Name:(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
Formula:C16 H20 N2 O8 P2
SMILES:O=P(O)(O)OCc2cnc(c(O)c2/C=N/C(c1ccccc1)(C)P(=O)(O)O)C
InChi:InChI=1S/C16H20N2O8P2/c1-11-15(19)14(12(8-17-11)10-26-28(23,24)25)9-18-16(2,27(20,21)22)13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3,(H2,20,21,22)(H2,23,24,25)/b18-9+/t16-/m1/s1
Definition date:2002-07-09
Last modified:2011-06-04
Identifier:[(1R)-1-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-1-phenylethyl]phosphonic acid
IP0
IP0
Name:2-(1-methylethyl)phenol
Formula:C9 H12 O
SMILES:Oc1ccccc1C(C)C
InChi:InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
Definition date:2008-10-31
Last modified:2011-06-04
Identifier:2-(1-methylethyl)phenol
IP1
IP1
Name:ISOPENICILLIN N
Formula:C14 H21 N3 O6 S
SMILES:O=C(O)C1N2C(=O)C(NC(=O)CCCC(C(=O)O)N)C2SC1(C)C
InChi:InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,5R,6R)-6-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IP2
IP2
Name:D-MYO-INOSITOL-4,5-BISPHOSPHATE
Formula:C6 H14 O12 P2
SMILES:O=P(OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1R,2R,3S,4R,5S,6S)-3,4,5,6-tetrahydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]
IP6
IP6
Name:N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE
Formula:C20 H18 N4
SMILES:n1cccc(c1N)NCc4cccc(c2ccc3c(c2)ncc3)c4
InChi:InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)
Definition date:2007-01-12
Last modified:2011-06-04
Identifier:N~3~-[3-(1H-indol-6-yl)benzyl]pyridine-2,3-diamine
IP7
IP7
Name:N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE
Formula:C26 H23 N5 O
SMILES:n1ccccc1COc4ccc(c2ccc3c(c2)ncc3)cc4CNc5cccnc5N
InChi:InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30)
Definition date:2007-01-12
Last modified:2011-06-04
Identifier:N~3~-[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
IPB
IPB
Name:5-METHYL-2-(1-METHYLETHYL)PHENOL
Formula:C10 H14 O
SMILES:Oc1cc(ccc1C(C)C)C
InChi:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
Definition date:2000-03-13
Last modified:2011-06-04
Identifier:5-methyl-2-(1-methylethyl)phenol
IPC
IPC
Name:3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Formula:C22 H21 N O3 S
SMILES:O=C(O)c2sc(cc2N(C(=O)c1ccc(cc1)C)C(C)C)c3ccccc3
InChi:InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)
Definition date:2005-03-02
Last modified:2011-06-04
Identifier:3-{(1-methylethyl)[(4-methylphenyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid
IPF
IPF
Name:N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE
Formula:C50 H64 N8 O8
SMILES:O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(O)C4N(C(=O)C(NC(=O)C(NC(=O)C)Cc3c2ccccc2nc3)C(C)C)CCC4)C(C)C)Cc6c5ccccc5nc6)C
InChi:InChI=1S/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
Definition date:2005-06-27
Last modified:2011-06-04
Identifier:N-acetyl-L-tryptophyl-N-{(1S,2S,3S)-3-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}-L-valinamide
EMB
EMB
Name:METHYL-CARBAMIC ACID ETHYL ESTER
Formula:C4 H9 N O2
SMILES:O=C(OCC)NC
InChi:InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
Definition date:1999-10-22
Last modified:2011-06-04
Identifier:ethyl methylcarbamate
IPH
IPH
Name:PHENOL
Formula:C6 H6 O
SMILES:Oc1ccccc1
InChi:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:phenol
EMC
EMC
Name:ETHYL MERCURY ION
Formula:C2 H5 Hg
SMILES:[Hg+]CC
InChi:InChI=1S/C2H5.Hg/c1-2
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:ethylmercury(1+)
EMD
EMD
Name:5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE
Formula:C22 H23 N3 O4 S
SMILES:O=C1SC(C(=NN1)c2cc4c(cc2)N(C(=O)c3ccc(OC)c(OC)c3)CCC4)C
InChi:InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1
Definition date:2001-04-20
Last modified:2011-06-04
Identifier:(6R)-5-{1-[(3,4-dimethoxyphenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
IPK
IPK
Name:2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine
Formula:C26 H26 N4 O S
SMILES:O=C(c1ccc(cc1)CSc3nc2ccncc2n3)N5CCC(Cc4ccccc4)CC5
InChi:InChI=1S/C26H26N4OS/c31-25(30-14-11-20(12-15-30)16-19-4-2-1-3-5-19)22-8-6-21(7-9-22)18-32-26-28-23-10-13-27-17-24(23)29-26/h1-10,13,17,20H,11-12,14-16,18H2,(H,28,29)
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:(4-benzylpiperidin-1-yl){4-[(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)methyl]phenyl}methanone
EMF
EMF
Name:ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
Formula:C13 H16 O4
SMILES:O=C(OCC)C2CC2c1ccc(O)c(OC)c1
InChi:InChI=1S/C13H16O4/c1-3-17-13(15)10-7-9(10)8-4-5-11(14)12(6-8)16-2/h4-6,9-10,14H,3,7H2,1-2H3/t9-,10+/m1/s1
Definition date:2007-09-04
Last modified:2011-06-04
Identifier:ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
IPL
IPL
Name:INDOLE-3-PROPANOL PHOSPHATE
Formula:C11 H14 N O4 P
SMILES:O=P(O)(O)OCCCc2c1ccccc1nc2
InChi:InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
Definition date:2000-06-30
Last modified:2011-06-04
Identifier:3-(1H-indol-3-yl)propyl dihydrogen phosphate
IPM
IPM
Name:3-ISOPROPYLMALIC ACID
Formula:C7 H12 O5
SMILES:O=C(O)C(O)C(C(=O)O)C(C)C
InChi:InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R,3S)-2-hydroxy-3-(1-methylethyl)butanedioic acid
EMH
EMH
Name:9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Formula:C30 H34 N4 O2
SMILES:N#Cc1cc2c(cc1)c4c(n2)C(c3cc(c(cc3C4=O)CC)N6CCC(N5CCOCC5)CC6)(C)C
InChi:InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
Definition date:2010-10-26
Last modified:2011-06-04
Identifier:9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
IPN
IPN
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-5-IODOURACIL
Formula:C10 H14 I N4 O5
SMILES:O=C(N(CC(=O)O)CC[NH3+])CN1C=C(I)C(=O)NC1=O
InChi:InChI=1S/C10H13IN4O5/c11-6-3-15(10(20)13-9(6)19)4-7(16)14(2-1-12)5-8(17)18/h3H,1-2,4-5,12H2,(H,17,18)(H,13,19,20)/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-{(carboxymethyl)[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]amino}ethanaminium

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